Chemical Properties of 8-Aminocaprylic acid (CAS 1002-57-9)

InChI

InChI=1S/C8H17NO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7,9H2,(H,10,11)

InChI Key

UQXNEWQGGVUVQA-UHFFFAOYSA-N

Formula

C8H17NO2

SMILES

NCCCCCCCC(=O)O

Molecular Weight¹

159.23

CAS

1002-57-9

Other Names

• 8-aminooctanoic acid
• Octanoic acid, 8-amino-
• «omega»-Aminocaprylic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-4884.00	kJ/mol	NIST
ΔfG°	-260.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-524.00 ± 4.00	kJ/mol	NIST
ΔfH°solid	-694.00	kJ/mol	NIST
ΔfusH°	31.82	kJ/mol	Joback Calculated Property
ΔsubH°	[170.00; 170.00]	kJ/mol
ΔsubH°	170.00 ± 4.00	kJ/mol	NIST
ΔsubH°	170.00 ± 4.00	kJ/mol	NIST
ΔvapH°	92.79	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-1.37		Relay (1.0) Calculated Property
logPoct/wat	1.370		Crippen Calculated Property
McVol	141.000	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Tboil	558.80	K	Relay (1.0) Calculated Property
Tc	752.19	K	Relay (1.0) Calculated Property
Tfus	435.25	K	Relay (1.0) Calculated Property
Vc	0.525	m3/kmol	Relay (1.0) Calculated Property

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Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[369.57; 431.90]	J/mol×K	[600.68; 794.66]
Cp,gas	369.57	J/mol×K	600.68	Joback Calculated Property
Cp,gas	381.41	J/mol×K	633.01	Joback Calculated Property
Cp,gas	392.64	J/mol×K	665.34	Joback Calculated Property
Cp,gas	403.28	J/mol×K	697.67	Joback Calculated Property
Cp,gas	413.35	J/mol×K	730.00	Joback Calculated Property
Cp,gas	422.88	J/mol×K	762.33	Joback Calculated Property
Cp,gas	431.90	J/mol×K	794.66	Joback Calculated Property
Cp,solid	251.70	J/mol×K	298.00	NIST
ΔsubH	166.20 ± 0.90	kJ/mol	396.50	NIST

Similar Compounds

Find more compounds similar to 8-Aminocaprylic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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